Information card for entry 4027402

Structure parameters

• Formula: C24 H23 Cl2 N O3
• Calculated formula: C24 H23 Cl2 N O3
• SMILES: Clc1c(Cl)ccc([C@H]2Nc3c([C@@](c4c(O)ccc(OC)c4)(C2)C)cc(OC)cc3)c1
• Title of publication: An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes
• Authors of publication: Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 6970 - 6979
• a: 10.5822 ± 0.0006 Å
• b: 13.911 ± 0.0011 Å
• c: 14.6147 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2151.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No